methanone structure](/static/products/4382/438222-06-1.webp)
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone
TL;DR: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone (CAS 438222-06-1) is a chemical compound with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitrophenyl)methanone
Also Known As: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone|[4,5-Dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone|[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitrophenyl)methanone|3-methyl-1-(3-methyl-4-nitrobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol|5-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) 3-methyl-4-nitrophenyl k etone|[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitro-phenyl)methanone
| Molecular Formula | C13H12F3N3O4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.37592 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.078 |
| Heavy Atoms | 23 |
| Complexity | 716.90656 |
Chemical Identifiers
| CAS Number | 438222-06-1 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone (CAS 438222-06-1), with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol. IUPAC: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone
Property Insights of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone
The XLogP value of 2.37592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone. Following Lipinski's Rule of Five, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone?
The CAS number of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone is 438222-06-1.
What is the molecular formula of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone?
The molecular formula of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone is C13H12F3N3O4.
What is the molecular weight of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone?
The molecular weight of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone is 331.08 g/mol.
Where can I buy [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone?
You can request a quote for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.